硫酸地贝卡星
TL;DR: 硫酸地贝卡星 (CAS 58580-55-5) is a chemical compound with molecular formula C18H39N5O12S and molecular weight 549.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸地贝卡星
4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid
Also Known As: Dibekacin sulfate, dibekacin, Panimycin, DKB sulfate, Dibekacin sulphate (1:1)
| Molecular Formula | C18H39N5O12S |
|---|---|
| Molecular Weight | 549.23 g/mol |
| LogP | -5.92 |
| Topological Polar Surface Area | 331.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 549.23157 |
| Heavy Atoms | 36 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 58580-55-5 |
|---|---|
| SMILES | C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N.OS(=O)(=O)O |
| InChIKey | GXKUKBCVZHBTJW-UHFFFAOYSA-N |
Product Overview
硫酸地贝卡星 (CAS 58580-55-5), with molecular formula C18H39N5O12S and molecular weight 549.23 g/mol. IUPAC: 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid.
Chemical Property Profile of 硫酸地贝卡星
Property Insights of 硫酸地贝卡星
The XLogP value of -5.92 indicates that 硫酸地贝卡星 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 331.0 Ų indicates high polarity, suggesting 硫酸地贝卡星 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸地贝卡星 has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸地贝卡星?
The CAS number of 硫酸地贝卡星 is 58580-55-5.
What is the molecular formula of 硫酸地贝卡星?
The molecular formula of 硫酸地贝卡星 is C18H39N5O12S.
What is the molecular weight of 硫酸地贝卡星?
The molecular weight of 硫酸地贝卡星 is 549.23 g/mol.
Where can I buy 硫酸地贝卡星?
You can request a quote for 硫酸地贝卡星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸地贝卡星?
Yes, KEHONG BIO provides custom synthesis services for 硫酸地贝卡星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.